5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide

C14H9Br3ClNO2 — CID 103414514

IUPAC5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(Br)ccc2Cl)c(Br)cc1Br
InChIInChI=1S/C14H9Br3ClNO2/c1-21-13-6-12(9(16)5-10(13)17)19-14(20)8-4-7(15)2-3-11(8)18/h2-6H,1H3,(H,19,20)
InChIKeyIGBFSJLWUAHNOG-UHFFFAOYSA-N
MW498.40 g/mol
LogP5.89
Rot. Bonds3

About 5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide

5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide (PubChem CID 103414514) has the molecular formula C14H9Br3ClNO2 and a molecular weight of 498.40 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide
PubChem CID103414514
Molecular FormulaC14H9Br3ClNO2
Molecular Weight498.40 g/mol
Exact Mass494.79
IUPAC Name5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(Br)ccc2Cl)c(Br)cc1Br
InChIInChI=1S/C14H9Br3ClNO2/c1-21-13-6-12(9(16)5-10(13)17)19-14(20)8-4-7(15)2-3-11(8)18/h2-6H,1H3,(H,19,20)
InChIKeyIGBFSJLWUAHNOG-UHFFFAOYSA-N
XLogP5.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.40
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide
CID 3910940
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
4-chloro-N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
CID 103414724
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
CID 103414718
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide
CID 103414555
2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103410417
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide
CID 30804369
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide
CID 78987859

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide (CID 103414514) is 5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide is COc1cc(NC(=O)c2cc(Br)ccc2Cl)c(Br)cc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide?
The InChIKey is IGBFSJLWUAHNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3ClNO2/c1-21-13-6-12(9(16)5-10(13)17)19-14(20)8-4-7(15)2-3-11(8)18/h2-6H,1H3,(H,19,20).
What are the key properties of 5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide?
5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide has a molecular weight of 498.40 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide is sourced from PubChem (CID 103414514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).